N-[(E)-(3-oxoinden-1-ylidene)amino]-1,3-benzodioxole-5-carboxamide

Formula:C17H12N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-(3-oxoinden-1-ylidene)amino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.

MolName	N-[(E)-(3-oxoinden-1-ylidene)amino]-1,3-benzodioxole-5-carboxamide
MolecularFormula	C17H12N2O4
Smiles	O=C(c(cc1)cc2c1OCO2)N/N=C(\C1)/c(cccc2)c2C1=O
InChI	InChI=1S/C17H12N2O4/c20-14-8-13(11-3-1-2-4-12(11)14)18-19-17(21)10-5-6-15-16(7-10)23-9-22-15/h1-7H,8-9H2,(H,19,21)
InChIK	YQUXRKFJALLEDV-UHFFFAOYSA-N
TotalMolweight	308.292
Molweight	308.292
MonoisotopicMass	308.079708
CLogP	3.0929
CLogS	-5.292
H Acceptors	6
H Donors	1
TotalSurfaceArea	223.47
Relative PSA	0.30899
PolarSurfaceArea	76.99
Druglikeness	3.4227
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
StereoCon

Click to Load Molecule:

1 - N-[(E)-(3-oxoinden-1-ylidene)amino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(E)-(3-oxoinden-1-ylidene)amino]-1,3-benzodioxole-5-carboxamide

Request More Details | N-[(E)-(3-oxoinden-1-ylidene)amino]-1,3-benzodioxole-5-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments